CID 3055195

1-(2-((2,4-dichlorophenoxy)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1h-imidazole nitrate

Structural Information

Molecular Formula
C18H14Cl4N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCOC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl4N2O2/c19-12-1-3-14(15(21)7-12)18(9-24-6-5-23-10-24)26-11-25-17-4-2-13(20)8-16(17)22/h1-8,10,18H,9,11H2
InChIKey
MDNBYOPRDPOIMR-UHFFFAOYSA-N
Compound name
1-[2-[(2,4-dichlorophenoxy)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.98093 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.98821 191.4
[M+Na]+ 452.97015 200.6
[M-H]- 428.97365 194.7
[M+NH4]+ 448.01475 201.3
[M+K]+ 468.94409 193.7
[M+H-H2O]+ 412.97819 182.1
[M+HCOO]- 474.97913 191.8
[M+CH3COO]- 488.99478 199.3
[M+Na-2H]- 450.95560 189.1
[M]+ 429.98038 197.1
[M]- 429.98148 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.